5-chloro-6-methoxy-1,2,3,4-tetrahydroquinoline

C10H12ClNO — CID 84667978

IUPAC5-chloro-6-methoxy-1,2,3,4-tetrahydroquinoline
SMILESCOc1ccc2c(c1Cl)CCCN2
InChIInChI=1S/C10H12ClNO/c1-13-9-5-4-8-7(10(9)11)3-2-6-12-8/h4-5,12H,2-3,6H2,1H3
InChIKeyIRHABZLXXHZGQC-UHFFFAOYSA-N
MW197.66 g/mol
LogP2.71
Rot. Bonds1

About 5-chloro-6-methoxy-1,2,3,4-tetrahydroquinoline

5-chloro-6-methoxy-1,2,3,4-tetrahydroquinoline (PubChem CID 84667978) has the molecular formula C10H12ClNO and a molecular weight of 197.66 g/mol. Its IUPAC name is 5-chloro-6-methoxy-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name5-chloro-6-methoxy-1,2,3,4-tetrahydroquinoline
PubChem CID84667978
Molecular FormulaC10H12ClNO
Molecular Weight197.66 g/mol
Exact Mass197.06
IUPAC Name5-chloro-6-methoxy-1,2,3,4-tetrahydroquinoline
SMILESCOc1ccc2c(c1Cl)CCCN2
InChIInChI=1S/C10H12ClNO/c1-13-9-5-4-8-7(10(9)11)3-2-6-12-8/h4-5,12H,2-3,6H2,1H3
InChIKeyIRHABZLXXHZGQC-UHFFFAOYSA-N
XLogP2.71
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.66
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

6-methoxy-1,2,3,4-tetrahydroquinolin-5-ol
CID 84656926
5-methoxy-1,2,3,4-tetrahydroquinoline;dihydrochloride
CID 133058760
6-bromo-7-methoxy-2,3,4,5-tetrahydro-1H-1-benzazepine;hydrochloride
CID 67827017
N-(2-methoxyphenyl)-N-methyl-1,2,3,4-tetrahydroquinolin-5-amine
CID 81214445
6-(4-methoxy-3-methylphenyl)-1,2,3,4-tetrahydroquinoline
CID 62500963
6-methoxy-9-methyl-2,3,4,5-tetrahydro-1H-1-benzazepine
CID 82158148
5-chloro-7-methoxy-1,2,3,4-tetrahydroquinoline
CID 84667985
(5-chloro-2-methoxyphenyl)-(1,2,3,4-tetrahydroquinolin-6-yl)methanone
CID 116554437
5-methoxy-1,2,3,4-tetrahydroquinoline-6-carboxylic acid
CID 84675022
7,8-dimethoxy-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine
CID 79014767
5-(2-chloroethyl)-8-methoxy-1,2,3,4-tetrahydroquinoline
CID 54084258
6-methoxy-7-methyl-1,2,3,4-tetrahydroquinoline
CID 84656157

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-methoxy-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 5-chloro-6-methoxy-1,2,3,4-tetrahydroquinoline (CID 84667978) is 5-chloro-6-methoxy-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 5-chloro-6-methoxy-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 5-chloro-6-methoxy-1,2,3,4-tetrahydroquinoline is COc1ccc2c(c1Cl)CCCN2.
What is the InChIKey of 5-chloro-6-methoxy-1,2,3,4-tetrahydroquinoline?
The InChIKey is IRHABZLXXHZGQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO/c1-13-9-5-4-8-7(10(9)11)3-2-6-12-8/h4-5,12H,2-3,6H2,1H3.
What are the key properties of 5-chloro-6-methoxy-1,2,3,4-tetrahydroquinoline?
5-chloro-6-methoxy-1,2,3,4-tetrahydroquinoline has a molecular weight of 197.66 g/mol, XLogP of 2.71, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-methoxy-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 84667978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).